vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 11 
  23:51:25 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.99000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
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            0.00000000       0.00000000       0.09227425 
    
   
   
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           0.24868776       0.54132033       0.32085706 
           0.99510199       0.23343279       0.43962538 
           0.24510199       0.23343279       0.32463998 
           0.99510199       0.30635015       0.07024252 
           0.24510199       0.30635015       0.19402284 
           0.99510199       0.38285428       0.44385497 
           0.24510199       0.38285428       0.32041039 
           0.00513967       0.45906633       0.56596894 
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           0.24510199       0.23343279       0.82463998 
           0.99510199       0.30635015       0.57024252 
           0.24510199       0.30635015       0.69402284 
           0.99510199       0.38285428       0.94385497 
           0.24510199       0.38285428       0.82041039 
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           0.74510199       0.30635015       0.69402284 
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           0.74510199       0.38285428       0.82041039 
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           0.56642981       0.65924640       0.52285772 
           0.21481790       0.60248656       0.74883393 
           0.51141132       0.59986837       0.50789229 
           0.98549323       0.58725274       0.54383060 
           0.23087167       0.59688662       0.24129789 
           0.00635433       0.59375089       0.03377067 
           0.75423613       0.58754848       0.21686447 
           0.48003191       0.59234396       0.05175608 
           0.73097533       0.45935788       0.91247754 
           0.20477863       0.69757178       0.61788026 
           0.51254329       0.77242860       0.51759440 
           0.26324368       0.75366103       0.51673302 
           0.07258671       0.69201328       0.58718605 
           0.59454396       0.80502196       0.50019710 
           0.22783675       0.74008857       0.62297812 
           0.48371710       0.75903144       0.42956987 
           0.47993161       0.76879600       0.60352779 
           0.07002316       0.59008869       0.61184974 
           0.30070930       0.60045524       0.16522332 
           0.92921331       0.59564622       0.10630681 
           0.74865060       0.62173177       0.26034793 
           0.58230599       0.59309760       0.10832711 
           0.75533846       0.45989289       0.00319240 
           0.43405146       0.69044624       0.86322146 
           0.68310105       0.67891720       0.36696029 
           0.01719464       0.69546327       0.87136279 
           0.72859796       0.66515663       0.65497736 
   
  
  
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          62 
          63 
          64 
          65 
          66 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      162
       -1
       -1
       256.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      0.32000000      0.99000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     35.45300000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
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    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        19.12059192
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        66 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    Cl   5
    Cl   5
    Cl   5
    Cl   5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.00868403       0.45936639       0.07362762 
          0.00352569       0.53635736       0.44703304 
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          0.24510199       0.23343279       0.32463998 
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          0.99510199       0.38285428       0.44385497 
          0.24510199       0.38285428       0.32041039 
          0.00513967       0.45906633       0.56596894 
          0.00067579       0.53878397       0.95264723 
          0.24992720       0.46367117       0.69910166 
          0.23952439       0.54360926       0.82326842 
          0.24510199       0.23343279       0.82463998 
          0.99510199       0.30635015       0.57024252 
          0.24510199       0.30635015       0.69402284 
          0.99510199       0.38285428       0.94385497 
          0.24510199       0.38285428       0.82041039 
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          0.50287644       0.54069563       0.43907673 
          0.74552083       0.45894794       0.19688365 
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          0.49510199       0.23343279       0.43962538 
          0.74510199       0.23343279       0.32463998 
          0.49510199       0.30635015       0.07024252 
          0.74510199       0.30635015       0.19402284 
          0.49510199       0.38285428       0.44385497 
          0.74510199       0.38285428       0.32041039 
          0.49078068       0.46236153       0.56093534 
          0.48353795       0.54133577       0.95302658 
          0.74509762       0.45773335       0.67597107 
          0.74241641       0.52082200       0.84165602 
          0.49510199       0.23343279       0.93962538 
          0.74510199       0.23343279       0.82463998 
          0.74510199       0.30635015       0.69402284 
          0.49510199       0.38285428       0.94385497 
          0.74510199       0.38285428       0.82041039 
          0.21816304       0.66711803       0.76839321 
          0.56642981       0.65924640       0.52285772 
          0.21481790       0.60248656       0.74883393 
          0.51141132       0.59986837       0.50789229 
          0.98549323       0.58725274       0.54383060 
          0.23087167       0.59688662       0.24129789 
          0.00635433       0.59375089       0.03377067 
          0.75423613       0.58754848       0.21686447 
          0.48003191       0.59234396       0.05175608 
          0.73097533       0.45935788       0.91247754 
          0.20477863       0.69757178       0.61788026 
          0.51254329       0.77242860       0.51759440 
          0.26324368       0.75366103       0.51673302 
          0.07258671       0.69201328       0.58718605 
          0.59454396       0.80502196       0.50019710 
          0.22783675       0.74008857       0.62297812 
          0.48371710       0.75903144       0.42956987 
          0.47993161       0.76879600       0.60352779 
          0.07002316       0.59008869       0.61184974 
          0.30070930       0.60045524       0.16522332 
          0.92921331       0.59564622       0.10630681 
          0.74865060       0.62173177       0.26034793 
          0.58230599       0.59309760       0.10832711 
          0.75533846       0.45989289       0.00319240 
          0.43405146       0.69044624       0.86322146 
          0.68310105       0.67891720       0.36696029 
          0.01719464       0.69546327       0.87136279 
          0.72859796       0.66515663       0.65497736 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      15.80   15.96
      16.22   16.37
   
         86.77061607 
      27060.90496514 
     -35734.44759181 
        -17.74561608 
       7841.10245098 
      -7153.46082637 
         -0.02194113 
       -310.39932618 
       9663.60131947 
       1436.30405008 
       1436.32599121 
       1436.31136379 
   
  
  
      19.89   19.89
      19.89   19.89
   
       -105.10223255 
       -105.08287564 
       -105.09578025 
   
  
  
      18.86   18.85
      18.86   18.86
   
       -343.24735425 
       -343.23327221 
       -343.24266024 
   
  
  
      19.40   19.40
      19.41   19.40
   
       -354.86418524 
       -354.85358272 
       -354.86065106 
   
  
  
      19.20   19.20
      19.35   19.35
   
       -355.22776511 
       -355.21737577 
       -355.22430200 
   
  
  
      19.70   19.70
      20.28   20.28
   
       -332.08199123 
       -332.06963439 
       -332.07787228 
   
  
  
      17.39   17.39
      17.94   17.94
   
       -332.21794670 
       -332.21706301 
       -332.21765214 
   
  
  
      18.18   18.18
      18.74   18.74
   
       -331.60005038 
       -331.56974365 
       -331.58994814 
   
  
  
      18.01   18.01
      18.55   18.55
   
       -331.44357259 
       -331.43531903 
       -331.44082140 
   
  
  
      17.78   17.77
      18.31   18.31
   
       -331.27792910 
       -331.23349351 
       -331.26311724 
   
  
  
      18.12   18.12
      18.69   18.69
   
       -331.29076787 
       -331.26107989 
       -331.28087187 
   
  
  
      18.17   18.17
      18.78   18.78
   
       -331.27820442 
       -331.23577756 
       -331.26406213 
   
  
  
      17.78   17.78
      18.39   18.39
   
       -331.27140143 
       -331.23101234 
       -331.25793840 
   
  
  
      17.96   17.96
      18.53   18.53
   
       -331.27112919 
       -331.22988695 
       -331.25738178 
   
  
  
      19.41   19.40
      19.98   19.98
   
       -331.27126059 
       -331.23016986 
       -331.25756368 
   
  
  
      17.90   17.90
      18.48   18.47
   
       -331.27148387 
       -331.23032922 
       -331.25776565 
   
  
  
      18.10   18.10
      18.69   18.69
   
       -331.27176586 
       -331.23052757 
       -331.25801977 
   
  
  
      18.73   18.73
      19.32   19.32
   
       -331.27216798 
       -331.23088667 
       -331.25840754 
   
  
  
      19.17   19.17
      19.76   19.76
   
       -331.27272706 
       -331.23148554 
       -331.25897989 
   
  
  
      17.87   17.87
      18.45   18.45
   
       -331.27308483 
       -331.23184080 
       -331.25933682 
   
  
  
      17.34   17.34
      17.95   17.95
   
       -331.27355710 
       -331.23232048 
       -331.25981156 
   
  
  
      17.75   17.75
      18.31   18.31
   
       -331.27378916 
       -331.23253975 
       -331.26003935 
   
  
  
      13.58   13.58
      14.17   14.16
   
       -331.27393569 
       -331.23268953 
       -331.26018697 
   
  
  
      14.59   14.59
      15.17   15.17
   
       -331.27408075 
       -331.23283455 
       -331.26033202